(2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol

C18H34O5 — CID 127029479

IUPAC(2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol
SMILESCC/C=C/C[C@H](O)/C=C/[C@H](O)[C@H](O)[C@H](O)CCCCC[C@H](C)O
InChIInChI=1S/C18H34O5/c1-3-4-6-10-15(20)12-13-17(22)18(23)16(21)11-8-5-7-9-14(2)19/h4,6,12-23H,3,5,7-11H2,1-2H3/b6-4+,13-12+/t14-,15-,16+,17-,18+/m0/s1
InChIKeyHNBCKKHHWCEIMT-QFWJSBLSSA-N
MW330.47 g/mol
LogP1.67
Rot. Bonds13

About (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol

(2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol (PubChem CID 127029479) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol.

Molecular Properties

Compound Name(2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol
PubChem CID127029479
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol
SMILESCC/C=C/C[C@H](O)/C=C/[C@H](O)[C@H](O)[C@H](O)CCCCC[C@H](C)O
InChIInChI=1S/C18H34O5/c1-3-4-6-10-15(20)12-13-17(22)18(23)16(21)11-8-5-7-9-14(2)19/h4,6,12-23H,3,5,7-11H2,1-2H3/b6-4+,13-12+/t14-,15-,16+,17-,18+/m0/s1
InChIKeyHNBCKKHHWCEIMT-QFWJSBLSSA-N
XLogP1.67
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol?
The IUPAC name of (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol (CID 127029479) is (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol.
What is the SMILES notation for (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol?
The canonical SMILES for (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol is CC/C=C/C[C@H](O)/C=C/[C@H](O)[C@H](O)[C@H](O)CCCCC[C@H](C)O.
What is the InChIKey of (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol?
The InChIKey is HNBCKKHHWCEIMT-QFWJSBLSSA-N. The full InChI is InChI=1S/C18H34O5/c1-3-4-6-10-15(20)12-13-17(22)18(23)16(21)11-8-5-7-9-14(2)19/h4,6,12-23H,3,5,7-11H2,1-2H3/b6-4+,13-12+/t14-,15-,16+,17-,18+/m0/s1.
What are the key properties of (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol?
(2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol has a molecular weight of 330.47 g/mol, XLogP of 1.67, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8R,9R,10S,11E,13S,15E)-octadeca-11,15-diene-2,8,9,10,13-pentol is sourced from PubChem (CID 127029479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).